(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol

C26H32O6 — CID 14655276

IUPAC(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol
SMILESC=CCOC[C@H]1OC(O)[C@@H](OCc2ccccc2)[C@@H](OCC=C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C26H32O6/c1-3-15-28-19-22-23(30-17-20-11-7-5-8-12-20)24(29-16-4-2)25(26(27)32-22)31-18-21-13-9-6-10-14-21/h3-14,22-27H,1-2,15-19H2/t22-,23-,24+,25+,26?/m1/s1
InChIKeyDLCWNPOQLCIWRZ-APQRZRNDSA-N
MW440.54 g/mol
LogP3.65
Rot. Bonds13

About (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol

(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol (PubChem CID 14655276) has the molecular formula C26H32O6 and a molecular weight of 440.54 g/mol. Its IUPAC name is (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol
PubChem CID14655276
Molecular FormulaC26H32O6
Molecular Weight440.54 g/mol
Exact Mass440.22
IUPAC Name(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol
SMILESC=CCOC[C@H]1OC(O)[C@@H](OCc2ccccc2)[C@@H](OCC=C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C26H32O6/c1-3-15-28-19-22-23(30-17-20-11-7-5-8-12-20)24(29-16-4-2)25(26(27)32-22)31-18-21-13-9-6-10-14-21/h3-14,22-27H,1-2,15-19H2/t22-,23-,24+,25+,26?/m1/s1
InChIKeyDLCWNPOQLCIWRZ-APQRZRNDSA-N
XLogP3.65
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-ol
CID 11283242
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
(1S,2R,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexane-1,2-diol
CID 7099090
(1R,2S,3S,4R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxycyclohexane-1,2-diol
CID 11755326
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887
(2S,3S,4S,5R,6R)-2-phenylmethoxy-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxane-3,5-diol
CID 102163067
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-2-ol
CID 54589858
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane
CID 11804008
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol?
The IUPAC name of (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol (CID 14655276) is (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol.
What is the SMILES notation for (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol?
The canonical SMILES for (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol is C=CCOC[C@H]1OC(O)[C@@H](OCc2ccccc2)[C@@H](OCC=C)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol?
The InChIKey is DLCWNPOQLCIWRZ-APQRZRNDSA-N. The full InChI is InChI=1S/C26H32O6/c1-3-15-28-19-22-23(30-17-20-11-7-5-8-12-20)24(29-16-4-2)25(26(27)32-22)31-18-21-13-9-6-10-14-21/h3-14,22-27H,1-2,15-19H2/t22-,23-,24+,25+,26?/m1/s1.
What are the key properties of (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol?
(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol has a molecular weight of 440.54 g/mol, XLogP of 3.65, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol is sourced from PubChem (CID 14655276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).